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9be8ef09a2
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Merge pull request #3229 from lammps/fix-adapt-angle
Fix adapt angle
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2022-04-22 22:44:18 -04:00 |
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aed7bafac0
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Merge pull request #3217 from akohlmey/atomvec-strings
Refactor Atom and AtomVec classes to use std::string and std::vector for setting up per-atom data
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2022-04-22 22:03:26 -04:00 |
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68d1c856b3
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fix typo
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2022-04-22 11:27:08 -04:00 |
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b4e2e2ec34
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add support for angle cosine
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2022-04-22 09:12:12 -06:00 |
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644b3f6933
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clarify and remove redundant text
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2022-04-22 09:32:10 -04:00 |
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3f3c481554
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add support to fix adapt for angle coeffs
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2022-04-21 17:00:11 -06:00 |
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c6abc9e682
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need wheel module for modern install procedure
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2022-04-21 16:15:42 -04:00 |
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247c61c93f
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make portable to ubuntu
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2022-04-21 13:01:13 -04:00 |
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04afec7771
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fix minor doc issues
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2022-04-21 13:00:26 -04:00 |
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aebbd04297
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Merge pull request #3222 from akohlmey/fasthtml
Add fasthtml target for faster testing of .rst to .html translation
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2022-04-20 17:16:23 -04:00 |
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a8e5e0e515
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use python -m venv instead of virtualenv
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2022-04-20 15:49:22 -04:00 |
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42d875a411
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add fasthtml target for faster testing of .rst to html translation
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2022-04-20 15:02:00 -04:00 |
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a3a3354d1b
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fix file reader bug and add ttm/mod example
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2022-04-20 11:52:36 -04:00 |
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f40b8f5694
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Merge branch 'develop' into dielectric-updates
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2022-04-17 17:47:55 -04:00 |
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9228855257
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cosmetic
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2022-04-17 17:47:38 -04:00 |
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7c64ff6634
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Improved the precision of the conversion factor epsilon0e2q, added more options for units, ensured that qqrd2e be included in efield in several pair styles, and updated the fix polarize doc page
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2022-04-17 12:01:41 -05:00 |
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111111b38b
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Merge branch 'develop' into atomvec-strings
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2022-04-14 16:52:04 -04:00 |
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4380ed23d1
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documentation and LAMMPS homepage URL updates
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2022-04-14 15:55:22 -04:00 |
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5bd86a05b2
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Merge pull request #2906 from jtclemm/BPM
Adding package for bonded particle models
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2022-04-14 15:43:14 -04:00 |
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b5eb5ac686
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update docs for adding atom styles to refactored process
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2022-04-14 11:48:18 -04:00 |
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198d07e905
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print warning when fix property/atom is issues before reading a restart
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2022-04-14 11:06:35 -04:00 |
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1755d06870
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Merge pull request #3216 from lammps/update-citation
update a citation
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2022-04-13 19:16:57 -04:00 |
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bd6d7b9136
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clarify CUDA versus OpenCL build and runtime restrictions
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2022-04-13 14:24:43 -04:00 |
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467cae9436
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permissions
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2022-04-12 18:43:47 -04:00 |
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8c153adceb
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spelling
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2022-04-12 18:36:16 -04:00 |
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f64d405ad8
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Fixing remaining errors/warnings in doc build
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2022-04-12 15:59:38 -06:00 |
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616349c27b
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Merge branch 'develop' into dielectric-updates
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2022-04-12 16:33:02 -05:00 |
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f3363070e7
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remove support for CUDA toolkits before version 8 and GPUs older than Kepler
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2022-04-12 15:48:16 -04:00 |
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ca37c01476
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Fixing broken links/references in documentation
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2022-04-12 13:36:39 -06:00 |
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e1a7ea38a9
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update a citation
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2022-04-12 12:59:25 -06:00 |
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2a595713f3
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Updated doc page of the set command for the local dielectric constant,
which could be used as a measure of polarizability in the future
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2022-04-11 15:01:19 -05:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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591498ab31
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Updated and fixed typos in doc pages
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2022-04-10 10:24:31 -05:00 |
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c54fe7d97d
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small update
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2022-04-10 08:00:47 -04:00 |
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8dce9f7a60
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install pyyaml
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2022-04-09 00:39:50 -04:00 |
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6c87962551
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fix remaining doc build issues
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2022-04-09 00:39:27 -04:00 |
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674d2a6788
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Merge branch 'develop' into remove-message-package
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2022-04-09 00:25:11 -04:00 |
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8b53ff9383
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Merge pull request #2921 from lammps/mdi-expand
Enhance MDI support in LAMMPS in its MDI package
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2022-04-09 00:18:50 -04:00 |
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22122092e4
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Merge pull request #3206 from akohlmey/add-kimplugin
Add kimplugin source and CMake based build support
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2022-04-08 23:09:13 -04:00 |
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d0d4bbf5ae
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Merge pull request #3196 from akohlmey/avoid-bigint-format-scanf
Refactor code to avoid XXXINT_FORMAT defines and xxscanf() function calls
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2022-04-08 21:24:57 -04:00 |
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093667799d
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Merge branch 'develop' into mdi-expand
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2022-04-08 20:58:53 -04:00 |
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8cdce34b27
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Merge branch 'develop' into dump-style-yaml
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2022-04-08 18:42:28 -04:00 |
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6849356d63
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fix spelling, formatting, and cross-link/indexing issues
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2022-04-08 18:35:51 -04:00 |
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fbc55937fe
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Merge pull request #3198 from bathmatt/pair-dpd
DPD-BASIC kokkosification
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2022-04-08 17:48:28 -04:00 |
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dff3bc5656
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Merge branch 'develop' into avoid-bigint-format-scanf
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2022-04-08 17:39:25 -04:00 |
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fc24cf15ce
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Merge pull request #3197 from akohlmey/custom-thermo-headers
add support for custom header keywords with thermo output and dump styles
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2022-04-08 17:29:35 -04:00 |
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b24d01fae6
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remove broken links in the manual from removing packages
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2022-04-08 17:27:01 -04:00 |
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bfaa1e9ed0
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whitespace
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2022-04-08 16:28:57 -04:00 |
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a7ccb16aa8
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Merge pull request #3192 from davidfir3/fep_ta
New feature compute fep/ta
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2022-04-08 16:27:12 -04:00 |
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bd4d92c76d
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entry for mdi sub-dir in Examples.rst
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2022-04-07 16:02:45 -06:00 |
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